2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C21H27N5O — CID 665671

IUPAC2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCN2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C21H27N5O/c1-16-15-19(22-9-6-10-25-11-13-27-14-12-25)26-21(23-16)20(17(2)24-26)18-7-4-3-5-8-18/h3-5,7-8,15,22H,6,9-14H2,1-2H3
InChIKeyAMPZMQYKMHTPQI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.15
Rot. Bonds6

About 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 665671) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID665671
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCN2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C21H27N5O/c1-16-15-19(22-9-6-10-25-11-13-27-14-12-25)26-21(23-16)20(17(2)24-26)18-7-4-3-5-8-18/h3-5,7-8,15,22H,6,9-14H2,1-2H3
InChIKeyAMPZMQYKMHTPQI-UHFFFAOYSA-N
XLogP3.15
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 665671) is 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCN2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AMPZMQYKMHTPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-15-19(22-9-6-10-25-11-13-27-14-12-25)26-21(23-16)20(17(2)24-26)18-7-4-3-5-8-18/h3-5,7-8,15,22H,6,9-14H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 365.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 665671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).